KEGG   COMPOUND: C17543Help
Entry
C17543                      Compound                               

Name
Chikusetsusaponin V;
Ginsenoside Ro
Formula
C48H76O19
Exact mass
956.4981
Mol weight
957.1056
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C17543  Chikusetsusaponin V
Major components of natural products [BR:br08323]
 Crude drugs
  Panax rhizome
   C17543  Chikusetsusaponin V
BRITE hierarchy
Other DBs
CAS: 
34367-04-9
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        67
            1   C1z C    35.2100  -27.4400
            2   C1y C    35.2100  -28.9100
            3   C1x C    36.4700  -29.6100
            4   C1z C    37.7300  -28.9100
            5   C1x C    37.7300  -27.4400
            6   C1x C    36.4700  -26.7400
            7   C1x C    34.0200  -26.7400
            8   C1x C    32.7600  -27.4400
            9   C1z C    32.7600  -28.9100
            10  C2y C    34.0200  -29.6100
            11  C1z C    31.5700  -29.6100
            12  C1y C    31.5700  -31.0100
            13  C1x C    32.7600  -31.7100
            14  C2x C    34.0200  -31.0100
            15  C1x C    30.3800  -28.9100
            16  C1x C    29.1200  -29.6100
            17  C1y C    29.1200  -31.0100
            18  C1z C    30.3800  -31.7100
            19  C1z C    27.9300  -31.7100
            20  C1y C    27.9300  -33.1100
            21  C1x C    29.1200  -33.8100
            22  C1x C    30.3800  -33.1100
            23  C7a C    35.2100  -26.0400
            24  O7a O    36.4700  -25.3400
            25  O6a O    34.0200  -25.3400
            26  C1a C    32.7600  -29.9600
            27  C1a C    31.5700  -28.2100
            28  C1a C    30.3800  -30.4500
            29  C1a C    26.7400  -31.0100
            30  C1a C    26.7400  -32.4100
            31  O2a O    26.7400  -33.8100
            32  C1y C    25.4800  -34.5100
            33  O2x O    24.2900  -33.7400
            34  C1y C    23.0300  -34.4400
            35  C1y C    23.0300  -35.8400
            36  C1y C    24.2900  -36.5400
            37  C1y C    25.4800  -35.9100
            38  C6a C    21.8400  -33.7400
            39  O6a O    20.6500  -34.4400
            40  O6a O    21.8400  -32.3400
            41  O1a O    21.8400  -36.5400
            42  O1a O    24.2900  -37.9400
            43  O2a O    26.6700  -36.6100
            44  C1a C    38.9200  -29.6100
            45  C1a C    37.7300  -30.3100
            46  C1y C    37.5900  -24.5000
            47  O2x O    37.5900  -23.1000
            48  C1y C    38.7800  -25.2000
            49  C1y C    40.0400  -24.5000
            50  C1y C    40.0400  -23.1000
            51  C1y C    38.7800  -22.4000
            52  C1b C    38.7100  -21.0000
            53  O1a O    39.9700  -20.3000
            54  O1a O    41.2300  -22.4000
            55  O1a O    41.2300  -25.2700
            56  O1a O    38.7100  -26.6000
            57  C1y C    27.9300  -37.2400
            58  C1y C    27.9300  -38.6400
            59  C1y C    29.1200  -39.3400
            60  C1y C    30.3800  -38.6400
            61  C1y C    30.3800  -37.2400
            62  O2x O    29.1200  -36.5400
            63  C1b C    31.5866  -36.5300
            64  O1a O    32.7963  -37.2153
            65  O1a O    31.5866  -39.3500
            66  O1a O    26.7147  -39.3351
            67  O1a O    29.1028  -40.7399
BOND        74
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27    1  23 1 #Down
            28   23  24 1
            29   23  25 2
            30    9  26 1 #Up
            31   11  27 1 #Down
            32   18  28 1 #Down
            33   19  29 1
            34   19  30 1
            35   20  31 1 #Down
            36   32  31 1 #Up
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   32  37 1
            43   34  38 1 #Up
            44   38  39 2
            45   38  40 1
            46   35  41 1 #Down
            47   36  42 1 #Up
            48   37  43 1 #Down
            49    4  44 1
            50    4  45 1
            51   46  24 1 #Down
            52   47  46 1
            53   46  48 1
            54   48  49 1
            55   49  50 1
            56   50  51 1
            57   47  51 1
            58   51  52 1 #Down
            59   52  53 1
            60   50  54 1 #Up
            61   49  55 1 #Down
            62   48  56 1 #Up
            63   57  43 1 #Down
            64   57  58 1
            65   58  59 1
            66   59  60 1
            67   60  61 1
            68   61  62 1
            69   57  62 1
            70   61  63 1 #Down
            71   63  64 1
            72   60  65 1 #Up
            73   58  66 1 #Up
            74   59  67 1 #Down

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